2-Benzofurancarbonitrile, 4-methoxy-
TL;DR: 2-Benzofurancarbonitrile, 4-methoxy- (CAS 5463-96-7) is a chemical compound with molecular formula C10H7NO2 and molecular weight 173.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-1-benzofuran-2-carbonitrile
Also Known As: 2-Benzofurancarbonitrile, 4-methoxy-, 4-Methoxy-2-benzofurancarbonitrile, 4-methoxy-1-benzofuran-2-carbonitrile, 4-methoxybenzo(b)furan-2-carbonitrile, 5-18-07-00351 (Beilstein Handbook Reference)
| Molecular Formula | C10H7NO2 |
|---|---|
| Molecular Weight | 173.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.04768 |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 5463-96-7 |
|---|---|
| SMILES | COC1=CC=CC2=C1C=C(O2)C#N |
| InChIKey | BIHPNWHPANRXIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzofurancarbonitrile, 4-methoxy- (CAS 5463-96-7), with molecular formula C10H7NO2 and molecular weight 173.05 g/mol. IUPAC: 4-methoxy-1-benzofuran-2-carbonitrile.
Chemical Property Profile of 2-Benzofurancarbonitrile, 4-methoxy-
Property Insights of 2-Benzofurancarbonitrile, 4-methoxy-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzofurancarbonitrile, 4-methoxy-. With a topological polar surface area (TPSA) of 46.2 Ų, 2-Benzofurancarbonitrile, 4-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzofurancarbonitrile, 4-methoxy- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Benzofurancarbonitrile, 4-methoxy-?
The CAS number of 2-Benzofurancarbonitrile, 4-methoxy- is 5463-96-7.
What is the molecular formula of 2-Benzofurancarbonitrile, 4-methoxy-?
The molecular formula of 2-Benzofurancarbonitrile, 4-methoxy- is C10H7NO2.
What is the molecular weight of 2-Benzofurancarbonitrile, 4-methoxy-?
The molecular weight of 2-Benzofurancarbonitrile, 4-methoxy- is 173.05 g/mol.
Where can I buy 2-Benzofurancarbonitrile, 4-methoxy-?
You can request a quote for 2-Benzofurancarbonitrile, 4-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzofurancarbonitrile, 4-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzofurancarbonitrile, 4-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.